1-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine

C14H19N3O — CID 60945948

IUPAC1-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
SMILESCOc1cccc(C(C)NCc2cnn(C)c2)c1
InChIInChI=1S/C14H19N3O/c1-11(13-5-4-6-14(7-13)18-3)15-8-12-9-16-17(2)10-12/h4-7,9-11,15H,8H2,1-3H3
InChIKeyFHVAZQWSKUFYTQ-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.28
Rot. Bonds5

About 1-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine

1-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine (PubChem CID 60945948) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
PubChem CID60945948
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
SMILESCOc1cccc(C(C)NCc2cnn(C)c2)c1
InChIInChI=1S/C14H19N3O/c1-11(13-5-4-6-14(7-13)18-3)15-8-12-9-16-17(2)10-12/h4-7,9-11,15H,8H2,1-3H3
InChIKeyFHVAZQWSKUFYTQ-UHFFFAOYSA-N
XLogP2.28
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-(3-methoxyphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 103001791
1-(3-fluoro-4-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 43225826
[1-(3-methoxyphenyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 105191715
N-[1-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethyl]propan-1-amine
CID 60888002
(1R)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 83088565
(1R)-1-(3-methoxyphenyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 28712390
N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 74438762
(1R)-N-[(3,4-dichlorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376275
(1R)-1-(3-methoxyphenyl)-N-(1H-pyrrol-3-ylmethyl)ethanamine
CID 81376430
1-[1-(3-methoxyphenyl)ethyl]-4-[2-(1-methylpyrazol-4-yl)ethyl]piperazine
CID 122142087
N-[(3-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 43492453
(1R)-1-(1,3-benzodioxol-5-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 93263726

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of 1-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine (CID 60945948) is 1-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for 1-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine is COc1cccc(C(C)NCc2cnn(C)c2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is FHVAZQWSKUFYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11(13-5-4-6-14(7-13)18-3)15-8-12-9-16-17(2)10-12/h4-7,9-11,15H,8H2,1-3H3.
What are the key properties of 1-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine?
1-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 245.33 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 60945948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).